2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
• 化学式: C₁₉H₂₂N₆O₃
• 分子量: 382.422
• InChiKey: JSKJRHOCCDLZTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  99.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  多索茶碱杂质29 在 盐酸 、 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 反应 92.0h， 生成 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
  参考文献：
  名称：

  ANALGESIC AND ANTI-INFLAMMATORY ACTIVITY OF NEW ANALOGUES OF HC-030031: A TRPA1 CHANNEL ANTAGONIST

  摘要：

  One of our study direction is research in the group of compounds affecting the TRPA1 ion channel (Transient receptor potential cation channel, subfamily A, member 1) which can perform an important function in pain (including neuropathic pain) and inflammation for example in asthma and other chronic respiratory diseases. The aim of this study was to evaluate the analgesic and anti-inflammatory activity of two analogs of HC-030031 analogs belonging to nitrogen derivatives of the heterocyclic system: xanthine (compound 1) and benzimidazole (compound 2) with hydrazide and amide moieties respectively. In this paper, for two derivatives (compound 1 and compound 2) potential analgesic and anti-inflammatory/anti-edematous activities were evaluated in animal models of pain in mice (writhing response test, formalin test) and inflammation in rats (carrageenan-induced paw edema test). Both the tested compounds 1 and 2 showed significant analgesic and anti-inflammatory activities.

  DOI：

  10.32383/appdr/117836

文献信息

• ANALGESIC AND ANTI-INFLAMMATORY ACTIVITY OF NEW ANALOGUES OF HC-030031: A TRPA1 CHANNEL ANTAGONIST
  作者：Adrian Bryła、Marietta Ślusarczyk、Małgorzata Zygmunt、Grażyna Chłoń-Rzepa、Grzegorz Kazek

  DOI：10.32383/appdr/117836

  日期：2020.2.29

  One of our study direction is research in the group of compounds affecting the TRPA1 ion channel (Transient receptor potential cation channel, subfamily A, member 1) which can perform an important function in pain (including neuropathic pain) and inflammation for example in asthma and other chronic respiratory diseases. The aim of this study was to evaluate the analgesic and anti-inflammatory activity of two analogs of HC-030031 analogs belonging to nitrogen derivatives of the heterocyclic system: xanthine (compound 1) and benzimidazole (compound 2) with hydrazide and amide moieties respectively. In this paper, for two derivatives (compound 1 and compound 2) potential analgesic and anti-inflammatory/anti-edematous activities were evaluated in animal models of pain in mice (writhing response test, formalin test) and inflammation in rats (carrageenan-induced paw edema test). Both the tested compounds 1 and 2 showed significant analgesic and anti-inflammatory activities.